Molecular dynamics simulation of ion energy influence on cathodic arc deposition of TiAlCN thin film

TiAlCN thin-film coatings have attracted significant interest due to their high stiffness, low friction and good thermal stability. Despite progress in experimental deposition techniques such as cathodic arc and sputtering, the underlying growth mechanisms are still not fully understood. In this study, molecular dynamics (MD) simulations were employed to investigate the effect of additional energy on the deposition of TiAlCN coatings on Fe substrates. The deposition process of Ti, Al, C and N atoms was modelled at energy levels of − 60, − 80, − 100 and − 120 V. Main properties, including hardness, coefficient of friction (COF) and surface roughness, were evaluated. The results indicate that an additional energy of − 80 V yields a maximum hardness of 27.3 GPa. The lowest surface roughness (3.802 Å) and the minimum COF (0.498) were obtained at − 100 V. These findings show reasonable agreement with the experimental data, supporting the validity of the simulation approach. Overall, the study suggests that controlling additional energy during deposition may be an effective strategy for optimising TiAlCN coating properties, while also providing a useful reference for experimental design.